2-Iodo-1,4-dimethylbenzene

C₈H₉ICAS 1122-42-5232.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₉I
Molar mass: 232.06 g/mol
Exact mass: 231.9749 Da
Density: 1.585 g/mL (at 32 °C)
Boiling point: 84–85 °C (at NaN Torr)
logP: 2.91Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H411 Toxic to aquatic life with long lasting effects88.6% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, P501

Identifiers

CAS number

1122-42-5

SMILES

Cc1ccc(C)c(I)c1

InChIKey

WYZVNUSNUCABRF-UHFFFAOYSA-N

InChI

InChI=1S/C8H9I/c1-6-3-4-7(2)8(9)5-6/h3-5H,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

8 names

Benzene, 2-iodo-1,4-dimethyl-
p-Xylene, 2-iodo-
2-Iodo-p-xylene
1-Iodo-2,5-dimethylbenzene
2,5-Dimethyliodobenzene
1,4-Dimethyl-2-iodobenzene
NSC 3779
2,5-Dimethyl-1-iodobenzene

Reactions

2-IODO-p-XYLENE (Benzene, 2-iodo-1,4-dimethyl)product

Work with 2-Iodo-1,4-dimethylbenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,4-Trimethylbenzene95-63-659 % similar 2-Iodo-4-methylphenol16188-57-158 % similar 2-Iodo-4-methylaniline29289-13-258 % similar 1-Fluoro-2-iodo-4-methylbenzene452-82-458 % similar 2-Chloro-1-iodo-4-methylbenzene116632-42-954 % similar 4-Fluoro-2-iodo-1-methylbenzene13194-67-754 % similar 3-Iodo-4-methylbenzenamine35944-64-054 % similar Chloro-P-xylene95-72-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenethyl iodide17376-04-4 1-Ethyl-2-iodobenzene18282-40-1 1-Ethyl-4-iodobenzene25309-64-2 1-Iodo-2,3-dimethylbenzene31599-60-7 1-Iodo-3,4-dimethylbenzene31599-61-8 1-Iodo-2,4-dimethylbenzene4214-28-2 2-Iodo-1,3-dimethylbenzene608-28-6

Elsewhere

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